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Entry
CA01008                                                            
Classification
Carotenoid Name
Methyl hydroxy-3,4-dehydro-apo-8'-lycopenoate
IUPAC name Methyl 1-hydroxy-3,4-didehydro-1,2-dihydro-8'-apo-psi-caroten-8'-oate
Formula
C31H42O3
Molecular Weight 
462.646 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
11
Number of
conjugated multiple bonds 
11
Isomers 
  • Constitutional isomer: CA00792, CA00860, CA00838
    • InChI

    InChIKey

    Canonical SMILES

    XLogP
    8.628
    Hydrogen Bond donors
    (Lipinski's definition)
    1
    Hydrogen Bond Acceptors
    (Lipinski's definition)
    3
    LipinskiFailures
    2
    Complexity of molecule
    0.000
    Number of heavy atoms
    34
    TPSA
    (Topological Polar Surface Area) 
    46.530 Å2
    Reaction
    Pathway
    Major carotenoid information

    Minor carotenoid information

    Source organisms
    Halobacillus halophilus (Ref.390) - Firmicutes - Bacilli (Firmicutes - Bacillaceae)
    References
  • Ref.390: Ayako Osawa1, Yoko Ishii, Nao Sasamura, Marie Morita, Saskia Kocher, Volker Muller, Gerhard Sandmann, and Kazutoshi Shindo, The Journal of Antibiotics (2010) 63, 291–295, "Hydroxy-3,4-dehydro-apo-8'-lycopene and methyl hydroxy-3,4-dehydro-apo-8'-lycopenoate, novel C30 carotenoids produced by a mutant of marine bacterium Halobacillus halophilus".
    • CAS
    -
    Links to other DB

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